Glycoside
GD054359
Name:
NoneFormula:
C14H18O5N3ClSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3c2CCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(Cl)nc2c1CCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.76 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD27700
Formula: C8H8N3Cl
Smiles:
Nc1nc(Cl)nc2c1CCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
